1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-methyl-pyrimidin-2-one

Systemtic Name: 1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-methyl-pyrimidin-2-one Openeye Name: 1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-methyl-pyrimidin-2-one CAS Name: 1-[4-[4-(2,6-ditert-butyl-4-pyrimidinyl)-1-piperazinyl]butyl]-4-methyl-2-pyrimidinone IUPAC Name: 1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazin-1-yl]butyl]-4-methylpyrimidin-2-one Traditional Name: 1-[4-[4-(2,6-ditert-butylpyrimidin-4-yl)piperazino]butyl]-4-methyl-pyrimidin-2-one Formula: C25H40N6O MolecularWeight: 440.6247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C=C1)CCCCN2CCN(CC2)C3=NC(=NC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=NC(=O)N(C=C1)CCCCN2CCN(CC2)C3=NC(=NC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H40N6O/c1-19-10-13-31(23(32)26-19)12-9-8-11-29-14-16-30(17-15-29)21-18-20(24(2,3)4)27-22(28-21)25(5,6)7/h10,13,18H,8-9,11-12,14-17H2,1-7H3